tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate

C10H17F3N2O2 — CID 141407795

IUPACtert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)(F)F)CC1N
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-6(4-7(15)14)10(11,12)13/h6-7H,4-5,14H2,1-3H3
InChIKeyFALOMFQQBPHXKC-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.09
Rot. Bonds

About tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 141407795) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID141407795
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nametert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)(F)F)CC1N
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-6(4-7(15)14)10(11,12)13/h6-7H,4-5,14H2,1-3H3
InChIKeyFALOMFQQBPHXKC-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 172626143
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11425669
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 11129340
tert-butyl 5-amino-2-azabicyclo[2.1.0]pentane-2-carboxylate
CID 105441282
tert-butyl 3-amino-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 82381493
tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 154523095
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid
CID 102567569
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (4R)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 131091392
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
CID 170938178
tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
CID 130337237

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 141407795) is tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(F)(F)F)CC1N.
What is the InChIKey of tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is FALOMFQQBPHXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-6(4-7(15)14)10(11,12)13/h6-7H,4-5,14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 141407795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).